2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol

C5H7Cl6O4P — CID 154734502

IUPAC2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol
SMILESCOP(=O)(OCC(Cl)(Cl)Cl)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H7Cl6O4P/c1-14-16(13,3(12)5(9,10)11)15-2-4(6,7)8/h3,12H,2H2,1H3
InChIKeyFEJRHUXKFLQUQP-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.90
Rot. Bonds4

About 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol

2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol (PubChem CID 154734502) has the molecular formula C5H7Cl6O4P and a molecular weight of 374.80 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol
PubChem CID154734502
Molecular FormulaC5H7Cl6O4P
Molecular Weight374.80 g/mol
Exact Mass371.82
IUPAC Name2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol
SMILESCOP(=O)(OCC(Cl)(Cl)Cl)C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C5H7Cl6O4P/c1-14-16(13,3(12)5(9,10)11)15-2-4(6,7)8/h3,12H,2H2,1H3
InChIKeyFEJRHUXKFLQUQP-UHFFFAOYSA-N
XLogP3.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol?
The IUPAC name of 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol (CID 154734502) is 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol?
The canonical SMILES for 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol is COP(=O)(OCC(Cl)(Cl)Cl)C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol?
The InChIKey is FEJRHUXKFLQUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl6O4P/c1-14-16(13,3(12)5(9,10)11)15-2-4(6,7)8/h3,12H,2H2,1H3.
What are the key properties of 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol?
2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol has a molecular weight of 374.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[methoxy(2,2,2-trichloroethoxy)phosphoryl]ethanol is sourced from PubChem (CID 154734502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).